Chemoinformaics analysis of 4-[2-[2-(4-HYDROXYPHENYL)ETHOXY]ETHYL]PHENOL
Molecular Weight | 258.317 | nRot | 6 |
Heavy Atom Molecular Weight | 240.173 | nRig | 7 |
Exact Molecular Weight | 258.126 | nRing | 2 |
Solubility: LogS | -1.139 | nHRing | 0 |
Solubility: LogP | -2.402 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 41.1283 |
nHD | 2 | BPOL | 19.7937 |
QED | 0.569 |
Synth | 3.976 |
Natural Product Likeliness | 0.718 |
NR-PPAR-gamma | 0.013 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.022 |
HIA | 0.845 |
CACO-2 | -6.069 |
MDCK | 0.000433187 |
BBB | 0.487 |
PPB | 0.168826 |
VDSS | 0.346 |
FU | 0.693979 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.034 |
CYP2c19-inh | 0.031 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.126 |
CYP2c9-sub | 0.251 |
CYP2d6-inh | 0.049 |
CYP2d6-sub | 0.137 |
CYP3a4-inh | 0.02 |
CYP3a4-sub | 0.045 |
CL | 4.158 |
T12 | 0.694 |
hERG | 0.013 |
Ames | 0.014 |
ROA | 0.024 |
SkinSen | 0.473 |
Carcinogencity | 0.164 |
EI | 0.05 |
Respiratory | 0.113 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.599199 |